Task 38657717

Name test_127-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND3164_0
Workunit 31601346
Created 24 Oct 2026, 11:57:03 UTC
Sent 24 Oct 2026, 12:07:46 UTC
Report deadline 29 Oct 2026, 12:07:46 UTC
Received 26 Oct 2026, 21:21:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653012
Run time 50 min 14 sec
CPU time 46 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,048.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 773.39 MB
Peak swap size 12.97 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:29:59 (27108): wrapper (7.9.26016): starting
15:29:59 (27108): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
15:30:01 (27108): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:30:01 (27108): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
16:17:47 (27108): C:/Windows/system32/cmd.exe exited; CPU time 2816.593750
16:17:47 (27108): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 72168787 bytes.
Dumping objects ->
{3835454} normal block at 0x0000018846848FB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835443} normal block at 0x0000018846849560, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835432} normal block at 0x0000018846849870, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835421} normal block at 0x0000018846849020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835410} normal block at 0x00000188449A6160, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835379} normal block at 0x00000188467C0410, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835366} normal block at 0x00000188449A1C10, 8 bytes long.
 Data: <  &#230;D    > 00 00 E6 44 88 01 00 00 
{3833975} normal block at 0x00000188449A1DA0, 8 bytes long.
 Data: < &#242; D    > 00 F2 98 44 88 01 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000001884499D190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000018844996470, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x00000188449AA2C0, 16 bytes long.
 Data: <H&#172;&#154;D            > 48 AC 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000188449A9FF0, 16 bytes long.
 Data: < &#172;&#154;D            > 20 AC 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000188449A47D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x00000188449AA5E0, 16 bytes long.
 Data: <&#248;&#171;&#154;D            > F8 AB 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000188449AA680, 16 bytes long.
 Data: <&#208;&#171;&#154;D            > D0 AB 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000188449A9E60, 16 bytes long.
 Data: <&#168;&#171;&#154;D            > A8 AB 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000188449A9B40, 16 bytes long.
 Data: < &#171;&#154;D            > 80 AB 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000188449A6010, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x00000188449AA220, 16 bytes long.
 Data: <&#248;0 D            > F8 30 99 44 88 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000188449A4770, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x00000188449A9FA0, 16 bytes long.
 Data: <&#208;0 D            > D0 30 99 44 88 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000188449A9DC0, 16 bytes long.
 Data: <&#168;0 D            > A8 30 99 44 88 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000188449AA8B0, 16 bytes long.
 Data: < 0 D            > 80 30 99 44 88 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000188449A9D70, 16 bytes long.
 Data: <X0 D            > 58 30 99 44 88 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000188449A9C30, 16 bytes long.
 Data: <00 D            > 30 30 99 44 88 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000188449AA1D0, 16 bytes long.
 Data: < 0 D            > 08 30 99 44 88 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000188449A3C90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x00000188449AA180, 16 bytes long.
 Data: <&#224;/ D            > E0 2F 99 44 88 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018844992FE0, 320 bytes long.
 Data: < &#161;&#154;D     <&#154;D    > 80 A1 9A 44 88 01 00 00 90 3C 9A 44 88 01 00 00 
{283} normal block at 0x00000188449A9C80, 16 bytes long.
 Data: <`&#171;&#154;D            > 60 AB 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000188449A9D20, 16 bytes long.
 Data: <8&#171;&#154;D            > 38 AB 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000188449A4590, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x00000188449AA4A0, 16 bytes long.
 Data: < &#171;&#154;D            > 10 AB 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000188449A3FF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x00000188449AA860, 16 bytes long.
 Data: <X&#170;&#154;D            > 58 AA 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000188449A9EB0, 16 bytes long.
 Data: <0&#170;&#154;D            > 30 AA 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000188449A9B90, 16 bytes long.
 Data: < &#170;&#154;D            > 08 AA 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000188449A9AF0, 16 bytes long.
 Data: <&#224;&#169;&#154;D            > E0 A9 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000188449A9CD0, 16 bytes long.
 Data: <&#184;&#169;&#154;D            > B8 A9 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000188449AA810, 16 bytes long.
 Data: < &#169;&#154;D            > 90 A9 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000188449AA0E0, 16 bytes long.
 Data: <@b&#154;D            > 40 62 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000188449A6240, 40 bytes long.
 Data: <&#224;&#160;&#154;D      |F    > E0 A0 9A 44 88 01 00 00 10 04 7C 46 88 01 00 00 
{269} normal block at 0x00000188449AA090, 16 bytes long.
 Data: <p&#169;&#154;D            > 70 A9 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000188449AA360, 16 bytes long.
 Data: <H&#169;&#154;D            > 48 A9 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000188449A4230, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x00000188449AA590, 16 bytes long.
 Data: < &#169;&#154;D            > 20 A9 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000188449AA920, 992 bytes long.
 Data: < &#165;&#154;D    0B&#154;D    > 90 A5 9A 44 88 01 00 00 30 42 9A 44 88 01 00 00 
{101} normal block at 0x00000188449A3ED0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x00000188449A2160, 16 bytes long.
 Data: < \&#154;D            > 90 5C 9A 44 88 01 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x00000188449A5C90, 40 bytes long.
 Data: <`!&#154;D    &#208;>&#154;D    > 60 21 9A 44 88 01 00 00 D0 3E 9A 44 88 01 00 00 
{78} normal block at 0x00000188449A1C60, 16 bytes long.
 Data: < &#234;&#175; &#246;           > 80 EA AF 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000188449A2750, 16 bytes long.
 Data: <@&#233;&#175; &#246;           > 40 E9 AF 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000188449A2660, 16 bytes long.
 Data: <&#248;W&#172; &#246;           > F8 57 AC 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000188449A27A0, 16 bytes long.
 Data: <&#216;W&#172; &#246;           > D8 57 AC 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000188449A18A0, 16 bytes long.
 Data: <P &#172; &#246;           > 50 04 AC 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000188449A1F80, 16 bytes long.
 Data: <0 &#172; &#246;           > 30 04 AC 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000188449A21B0, 16 bytes long.
 Data: <&#224; &#172; &#246;           > E0 02 AC 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000188449A1A30, 16 bytes long.
 Data: <  &#172; &#246;           > 10 04 AC 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000188449A2520, 16 bytes long.
 Data: <p &#172; &#246;           > 70 04 AC 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000188449A2250, 16 bytes long.
 Data: < &#192;&#170; &#246;           > 18 C0 AA 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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